Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UG2RC5MKC2
EPA CompTox DTXSID001005819

Structure

InChI Key YZBWLYWBKFUJNQ-UHFFFAOYSA-N
Smiles N#CC(C)CCCCCCC
InChI
InChI=1/C10H19N/c1-3-4-5-6-7-8-10(2)9-11/h10H,3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H19N
Molecular Weight 153.15
AlogP 3.51
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 23.79
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 85351-03-7
NORMAN SUSDAT
FDA SRS UG2RC5MKC2
PubChem 3020612